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I have recently compiled CNS v. 1.1 on a 64 bit machine under RHEL4
using the INTEL fortran and CC compilers, based in part on suggestions
that Kay Diederichs and Joe Krahn posted on the cnsbb. At the outset I
can confirm that the ifc/icc-compiled binaries significantly outperform
the g77-compiled binaries.
Here is what I did:
Step-1
------
Unpacked the distribution tarfile for cns version 1.1 in my /usr/local/
Step-2
------
Added the following to /usr/local/cns_solve_1.1/bin/getarch to allow
system recognition:
x86_64:Linux:*:*)
echo intel-${MACHINE}-linux
exit 0 ;;
Step-3
------
Edited the 'sed' in /usr/local/cns_solve_1.1/bin/getarch as follows.
Here all that changes is the [A-z] to [A-Za-z].
MAJOR=`echo $RELEASE | sed -e 's/^V//' | sed -e 's/[A-Za-z]\.//' | awk
'BEGIN{FS="."}{print $1*1}'`
Step-4
-------
Edited
/usr/local/cns_solve_1.1/instlib/machine/supported/linux/Makefile.header
to define the paths for my INTEL compilers and compiler options.
########################################################################
##########
# fortran options
F77 = /opt/intel/fce/9.0/bin/ifort
F77STD =
F77OPT = -O -xW -vec_report0 -i8
F77FLAGS = $(F77STD) $(F77OPT) $(EXT_F77FLAGS) $(F77BUG)
# C options
CC = /opt/intel/cce/9.1.038/bin/icc
CCFLAGS = -O -DINTEGER='long int' -DCNS_ARCH_TYPE_$(CNS_ARCH_TYPE)
$(EXT_CCFLAGS)
# link options
LD = /opt/intel/fce/9.0/bin/ifort
LDFLAGS = -i-static -xW
# utility programs
compile-utils:
@ cd $(CNS_INST)/utils; \
make utils F77="$(F77)" CC="$(CC)" \
F77FLAGS="-w -O" CCFLAGS="-O" \
F77LINK="-i-static" CCLINK="-lm"
########################################################################
##########
Step-5
------
Changed the MPACK allocation statement:
IF (MPACK.GT.0) THEN
to:
IF (MPACK.NE.0) THEN
in the source files:
/usr/local/cns_solve_1.1_64bit/source/xpeakpik.f
/usr/local/cns_solve_1.1_64bit/source/xskel.f
Step-6
------
Edited my /usr/local/cns_solve_1.1/cns_solve_env to define the CNS_SOLVE
environmental variable.
Step-7
------
Issuing the following two commands in the /usr/local/cns_solve_1.1
should get you there.
- source cns_solve_env
- make install
--------------------
Best wishes
Savvas
----
Savvas N. Savvides
Unit for Structural Biology and Biophysics
Laboratory for Protein Biochemistry
Ghent University
K.L. Ledeganckstraat 35
9000 Ghent, BELGIUM
Phone: +32-(0)9-264.51.24 ; +32-(0)472-92.85.19
FAX: +32-(0)9-264.53.38
Email: [EMAIL PROTECTED]
-----Original Message-----
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of
sabuj pattanayek
Sent: Thursday, October 26, 2006 7:32 AM
To: [email protected]
Subject: Re: [ccp4bb]: Installation CNS on 64 bit linux OS
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*** CCP4 home page http://www.ccp4.ac.uk ***
> Dear All:
>
> Anyone had the experiences about installed CNS 1.1 program on 64 bit
> Rehat linux?
> Following the Readme, some error messages were appeared as below. I
have
> no idea about where to edit or do something.
> Any suggestions will be high appreciated.
>
> Best Regard,
>
> jaishin
>
########################################################################
> the architecture of the machine is unknown -
CNS_ARCH=unknown-x86_64-Linux
> aborting installation
> make: *** [install] Error 1
>
########################################################################
Hi,
After making a few modifications to the Makefiles, it will continue
beyond that message but it will stop with several compile errors. I'm
not sure whether anyone has fixed the compile errors for a native x86_64
port (also tried IA64).
HTH,
Sabuj Pattanayek
